4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

C18H25ClN2O3 — CID 109144380

IUPAC4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C18H25ClN2O3/c1-3-10-20-17(22)12-4-6-13(7-5-12)18(23)21-15-11-14(19)8-9-16(15)24-2/h8-9,11-13H,3-7,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGKFSCPKQWKRGLC-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.62
Rot. Bonds6

About 4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (PubChem CID 109144380) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
PubChem CID109144380
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C18H25ClN2O3/c1-3-10-20-17(22)12-4-6-13(7-5-12)18(23)21-15-11-14(19)8-9-16(15)24-2/h8-9,11-13H,3-7,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGKFSCPKQWKRGLC-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
CID 38764224
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007400
1-[6-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 50845323
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (CID 109144380) is 4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is CCCNC(=O)C1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The InChIKey is GKFSCPKQWKRGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-3-10-20-17(22)12-4-6-13(7-5-12)18(23)21-15-11-14(19)8-9-16(15)24-2/h8-9,11-13H,3-7,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide has a molecular weight of 352.86 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).